CID 89108145

2219375-11-6

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

C1CO[C@@H](C[C@@H]1O)CN

InChI

InChI=1S/C6H13NO2/c7-4-6-3-5(8)1-2-9-6/h5-6,8H,1-4,7H2/t5-,6+/m1/s1

InChIKey

VBENVBYCUIRSQU-RITPCOANSA-N

Compound name

(2S,4R)-2-(aminomethyl)oxan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 131.09464 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	132.10192	127.3
[M+Na]+	154.08386	132.5
[M-H]-	130.08736	129.3
[M+NH4]+	149.12846	146.7
[M+K]+	170.05780	132.6
[M+H-H2O]+	114.09190	122.0
[M+HCOO]-	176.09284	146.9
[M+CH3COO]-	190.10849	170.0
[M+Na-2H]-	152.06931	133.1
[M]+	131.09409	122.0
[M]-	131.09519	122.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe